6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one

C16H19NO3 — CID 664340

IUPAC6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
InChIInChI=1S/C16H19NO3/c1-2-12-3-4-15-14(9-12)13(10-16(18)20-15)11-17-5-7-19-8-6-17/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyCCIWVBOXYCTYKE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.19
Rot. Bonds3

About 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one

6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 664340) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID664340
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESCCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
InChIInChI=1S/C16H19NO3/c1-2-12-3-4-15-14(9-12)13(10-16(18)20-15)11-17-5-7-19-8-6-17/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyCCIWVBOXYCTYKE-UHFFFAOYSA-N
XLogP2.19
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one (CID 664340) is 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one is CCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1.
What is the InChIKey of 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is CCIWVBOXYCTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-12-3-4-15-14(9-12)13(10-16(18)20-15)11-17-5-7-19-8-6-17/h3-4,9-10H,2,5-8,11H2,1H3.
What are the key properties of 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one?
6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 664340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).